(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol

C21H29NO3 — CID 93160595

IUPAC(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
SMILESCCCN(Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C21H29NO3/c1-3-13-22(14-18-9-11-21(24-2)12-10-18)15-20(23)17-25-16-19-7-5-4-6-8-19/h4-12,20,23H,3,13-17H2,1-2H3/t20-/m1/s1
InChIKeyXEDMRJAFDWKSDY-HXUWFJFHSA-N
MW343.47 g/mol
LogP3.48
Rot. Bonds11

About (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol

(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 93160595) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
PubChem CID93160595
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
SMILESCCCN(Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C21H29NO3/c1-3-13-22(14-18-9-11-21(24-2)12-10-18)15-20(23)17-25-16-19-7-5-4-6-8-19/h4-12,20,23H,3,13-17H2,1-2H3/t20-/m1/s1
InChIKeyXEDMRJAFDWKSDY-HXUWFJFHSA-N
XLogP3.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007631
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 95232031
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713472
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93163983
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol (CID 93160595) is (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol is CCCN(Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is XEDMRJAFDWKSDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29NO3/c1-3-13-22(14-18-9-11-21(24-2)12-10-18)15-20(23)17-25-16-19-7-5-4-6-8-19/h4-12,20,23H,3,13-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93160595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).